1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-piazthiol-4-ylsulfonyl-3-piperidyl]methanone Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H17N3O5S2/c23-19(12-6-7-15-16(9-12)27-11-26-15)13-3-2-8-22(10-13)29(24,25)17-5-1-4-14-18(17)21-28-20-14/h1,4-7,9,13H,2-3,8,10-11H2/t13-/m0/s1